Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9H7Z7
UPID:
PGES2_HUMAN
Alternative names:
Membrane-associated prostaglandin E synthase-2; Microsomal prostaglandin E synthase 2; Prostaglandin-H(2) E-isomerase
Alternative UPACC:
Q9H7Z7; Q53EW9; Q5SYV6; Q96GI0; Q96GL2
Background:
Prostaglandin E synthase 2 (PTGES2), also known as Membrane-associated prostaglandin E synthase-2, plays a crucial role in the conversion of PGH2 into PGE2, a process vital for maintaining various physiological functions. Despite debates over its GSH-dependent property, PTGES2's involvement in catalyzing the degradation of PGH2 to HHT and MDA highlights its complex biological role.
Therapeutic significance:
Understanding the role of Prostaglandin E synthase 2 could open doors to potential therapeutic strategies, offering new avenues for drug discovery and development in managing diseases where prostaglandin synthesis and degradation are implicated.